6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol

C17H19NOS — CID 115819504

IUPAC6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol
SMILESOC(c1cc2c(s1)CCCC2)C1CCc2cccnc21
InChIInChI=1S/C17H19NOS/c19-17(13-8-7-11-5-3-9-18-16(11)13)15-10-12-4-1-2-6-14(12)20-15/h3,5,9-10,13,17,19H,1-2,4,6-8H2
InChIKeyOBPAUGGIHLDEPW-UHFFFAOYSA-N
MW285.41 g/mol
LogP3.79
Rot. Bonds2

About 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol

6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol (PubChem CID 115819504) has the molecular formula C17H19NOS and a molecular weight of 285.41 g/mol. Its IUPAC name is 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol.

Molecular Properties

Compound Name6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol
PubChem CID115819504
Molecular FormulaC17H19NOS
Molecular Weight285.41 g/mol
Exact Mass285.12
IUPAC Name6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol
SMILESOC(c1cc2c(s1)CCCC2)C1CCc2cccnc21
InChIInChI=1S/C17H19NOS/c19-17(13-8-7-11-5-3-9-18-16(11)13)15-10-12-4-1-2-6-14(12)20-15/h3,5,9-10,13,17,19H,1-2,4,6-8H2
InChIKeyOBPAUGGIHLDEPW-UHFFFAOYSA-N
XLogP3.79
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol with MolForge

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Related Compounds

6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(5-ethylthiophen-2-yl)methanol
CID 79739303
phenyl(5,6,7,8-tetrahydroquinolin-8-yl)methanol
CID 79739489
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(3,4,5-trifluorophenyl)methanol
CID 79739398
cyclohexyl(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanol
CID 115802136
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2,2-difluoroethanol
CID 112575643
cyclopentyl(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanol
CID 115840619
6-bicyclo[3.1.0]hexanyl(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanol
CID 115819421
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(5-methylfuran-2-yl)methanol
CID 79740317
(3-aminophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol
CID 106695855
1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanol
CID 79739208
(2,6-difluorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol
CID 79739199
(3,5-dichloro-2-pyridinyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanol
CID 79781088

Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol?
The IUPAC name of 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol (CID 115819504) is 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol.
What is the SMILES notation for 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol?
The canonical SMILES for 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol is OC(c1cc2c(s1)CCCC2)C1CCc2cccnc21.
What is the InChIKey of 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol?
The InChIKey is OBPAUGGIHLDEPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NOS/c19-17(13-8-7-11-5-3-9-18-16(11)13)15-10-12-4-1-2-6-14(12)20-15/h3,5,9-10,13,17,19H,1-2,4,6-8H2.
What are the key properties of 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol?
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol has a molecular weight of 285.41 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol is sourced from PubChem (CID 115819504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).